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The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do…

Computation and Language · Computer Science 2025-06-24 Shuhan Guo , Yatao Bian , Ruibing Wang , Nan Yin , Zhen Wang , Quanming Yao

This paper introduces a novel Large Language Models (LLMs)-assisted agent that automatically converts natural-language descriptions of power system optimization scenarios into compact, solver-ready formulations and generates corresponding…

Artificial Intelligence · Computer Science 2025-08-12 Yunkai Hu , Tianqiao Zhao , Meng Yue

As Large Language Models (LLMs) get integrated into diverse workflows, they are increasingly being regarded as "collaborators" with humans, and required to work in coordination with other AI systems. If such AI collaborators are to reliably…

Computation and Language · Computer Science 2026-01-23 Abhijnan Nath , Carine Graff , Nikhil Krishnaswamy

Large Language Models (LLMs) have become central to automated code generation, yet existing approaches operate within a single-LLM paradigm: one model is selected and applied throughout the entire generation process. We observe that…

Software Engineering · Computer Science 2026-04-21 Huashan Chen , Zhenyu Qi , Haotang Li , Hong Chen , Jinfu Chen , Kebin Peng , In Kee Kim , Kyu Hyung Lee , Sen He , Weiyi Shang

Multimodal recommender systems (MRS) integrate heterogeneous user and item data, such as text, images, and structured information, to enhance recommendation performance. The emergence of large language models (LLMs) introduces new…

Information Retrieval · Computer Science 2025-05-16 Alejo Lopez-Avila , Jinhua Du

Hyperparameter optimization is critical in modern machine learning, requiring expert knowledge, numerous trials, and high computational and human resources. Despite the advancements in Automated Machine Learning (AutoML), challenges in…

Machine Learning · Computer Science 2025-02-27 Siyi Liu , Chen Gao , Yong Li

Autonomous agents empowered by Large Language Models (LLMs) have undergone significant improvements, enabling them to generalize across a broad spectrum of tasks. However, in real-world scenarios, cooperation among individuals is often…

Multi-agent systems provide a powerful way to extend large language models (LLMs) by decomposing a complex task into specialized subtasks handled by different agents. However, their performance is often hindered by error propagation,…

Machine Learning · Computer Science 2026-05-14 Zheng Wang , Yuang Liu , Yangkai Ding

Future sixth-generation (6G) mobile networks are envisioned to be equipped with a diverse set of powerful, yet highly specialized, optimization experts. Such a promising vision is concurrently expected to give rise to the need for scalable…

Machine Learning · Computer Science 2026-05-06 Robert-Jeron Reifert , Alaa Alameer Ahmad , Hayssam Dahrouj , Aydin Sezgin

Multi-objective discrete optimization problems, such as molecular design, pose significant challenges due to their vast and unstructured combinatorial spaces. Traditional evolutionary algorithms often get trapped in local optima, while…

Machine Learning · Computer Science 2025-10-09 Nian Ran , Zhongzheng Li , Yue Wang , Qingsong Ran , Xiaoyuan Zhang , Shikun Feng , Richard Allmendinger , Xiaoguang Zhao

Large Language Models (LLMs) have shown remarkable success, and their multimodal expansions (MLLMs) further unlock capabilities spanning images, videos, and other modalities beyond text. However, despite this shift, prompt optimization…

Machine Learning · Computer Science 2026-02-20 Yumin Choi , Dongki Kim , Jinheon Baek , Sung Ju Hwang

Despite LLMs' excellent code creation capabilities, multilingual code generation remains extremely challenging. To address this, we intent to improve the multi-programming-lingual (MultiPL) performance of the base LLMs while retaining the…

Computation and Language · Computer Science 2025-09-09 Qing Wang , Xue Han , Jiahui Wang , Lehao Xing , Qian Hu , Lianlian Zhang , Chao Deng , Junlan Feng

The field of artificial intelligence (AI) agents is evolving rapidly, driven by the capabilities of Large Language Models (LLMs) to autonomously perform and refine tasks with human-like efficiency and adaptability. In this context,…

Statistical Finance · Quantitative Finance 2025-08-18 Tianjiao Zhao , Jingrao Lyu , Stokes Jones , Harrison Garber , Stefano Pasquali , Dhagash Mehta

The cooperative driving technology of Connected and Autonomous Vehicles (CAVs) is crucial for improving the efficiency and safety of transportation systems. Learning-based methods, such as Multi-Agent Reinforcement Learning (MARL), have…

Robotics · Computer Science 2025-08-12 Jiaqi Liu , Chengkai Xu , Peng Hang , Jian Sun , Wei Zhan , Masayoshi Tomizuka , Mingyu Ding

Context: LLM-based multi-agent systems enable automation and decision support in software development, yet existing studies rely on benchmark datasets offering only binary pass-or-fail results, limiting insight into real-world…

Although LLM-based agents are proven to master tool orchestration in scientific fields, particularly chemistry, their single-task performance remains limited by underlying tool constraints. To this end, we propose tool amplification, a…

Machine Learning · Computer Science 2026-04-20 Zhucong Li , Powei Chang , Jin Xiao , Zhijian Zhou , Qianyu He , Jiaqing Liang , Fenglei Cao , Xu Yinghui , Yuan Qi

Recent advancements in generative Large Language Models(LLMs) have been remarkable, however, the quality of the text generated by these models often reveals persistent issues. Evaluating the quality of text generated by these models,…

Computation and Language · Computer Science 2024-04-16 Yu Li , Shenyu Zhang , Rui Wu , Xiutian Huang , Yongrui Chen , Wenhao Xu , Guilin Qi , Dehai Min

Lead optimization in drug discovery requires improving therapeutic properties while ensuring that molecular modifications correspond to feasible synthetic routes. Existing approaches either prioritize property scores without enforcing…

Machine Learning · Computer Science 2026-05-04 Tao Li , Kaiyuan Hou , Tuan Vinh , Monika Raj , Zhichun Guo , Carl Yang

In complex multi-agent environments, achieving efficient learning and desirable behaviours is a significant challenge for Multi-Agent Reinforcement Learning (MARL) systems. This work explores the potential of combining MARL with Large…

Multiagent Systems · Computer Science 2026-02-12 Philipp D. Siedler , Ian Gemp

Multi-agent large language models (MA-LLMs) are a rapidly growing research area that leverages multiple interacting language agents to tackle complex tasks, outperforming single-agent large language models. This literature review…

Multiagent Systems · Computer Science 2025-06-03 Arne Tillmann
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